Geometry & MOs

Info

ID:	250336
PubChem CID:	103095792
Reduced:	ClN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	176.035255
ΔH_f, kcal/mol:	-14.53
Dipole, Da:	2.57
IP(EA), eV:	-9.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC3=C(COC3)C=C2)Cl

DOS

IR

Vibrations